Cas no 57233-85-9 (Tryptophan, 6-chloro-N-formyl-)
57233-85-9 structure
Product Name:Tryptophan, 6-chloro-N-formyl-
CAS No:57233-85-9
MF:C12H11ClN2O3
MW:266.680341959
CID:346100
Update Time:2024-03-01
Tryptophan, 6-chloro-N-formyl- Chemical and Physical Properties
Names and Identifiers
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- Tryptophan, 6-chloro-N-formyl-
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- Inchi: 1S/C12H11ClN2O3/c13-8-1-2-9-7(5-14-10(9)4-8)3-11(12(17)18)15-6-16/h1-2,4-6,11,14H,3H2,(H,15,16)(H,17,18)/t11-/m0/s1
- InChI Key: ZDDKUBATFXJQQV-NSHDSACASA-N
- SMILES: C(O)(=O)[C@H](CC1C2=C(C=C(Cl)C=C2)NC=1)NC=O
Computed Properties
- Exact Mass: 266.04593
- Monoisotopic Mass: 266.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 82.2A^2
Experimental Properties
- Density: 1.475±0.06 g/cm3(Predicted)
- Boiling Point: 613.9±55.0 °C(Predicted)
- PSA: 82.19
- pka: 3.32±0.10(Predicted)
Tryptophan, 6-chloro-N-formyl- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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